Mol:FL3FAAGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
0.2553 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2553 -1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 -1.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6575 -1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6575 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 -1.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 -1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 -0.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 -2.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 -0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4751 -0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1897 -0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1897 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4751 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4456 -0.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 -2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9040 0.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7030 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1172 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8705 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6892 -0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0669 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3331 -0.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7967 -1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3941 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2778 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4860 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4860 1.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2778 2.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0266 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7640 0.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9776 2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4860 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6137 1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9040 0.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
32 37 1 0 0 0 0
37 27 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 1 0 0 0 0
31 41 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 5
ID FL3FAAGS0020
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)cc(O)c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)2)O)C(C(O)C(O)1)O
M END
